Pakistan Journal of Pharmaceutical Sciences

Abstract: To predict the core components, targets, and pathways of Zijin Ding in treating colorectal cancer using network pharmacology and to explore its mechanism. Active ingredients and targets of Zijin Ding were retrieved from databases like TCMSP and Herb, and colorectal cancer-related targets were identified via GeneCards. Common targets were analyzed using Venn diagrams and String database, with Cytoscape for visualization. GO and KEGG analyses were performed using Metascape, and molecular docking was done with Auto Dock-Vina. Experimental validation was also included. We identified 20 components in Zijin Ding, with 228 overlapping targets related to cancer, including 20 core targets. These targets are involved in 1115 GO terms and 164 KEGG pathways. Key active ingredients like morin, alpha-estradiol, and beta-estradiol were predicted to interact with targets such as TP53, AKT1, IL6, CASP3, and BCL2. Molecular docking showed good binding activities of these ingredients with the targets. The chemical composition, including 4-gingerol, 6-gingerol, and 6-shogaol, was clarified. Zijin Ding treats colorectal cancer through a "multiple components, multiple targets, multiple pathways" network, providing theoretical references for its pharmacological and clinical applications. The experimental data support the network pharmacology predictions and highlight Zijin Ding's potential in colorectal cancer treatment.